BDBM50246331 2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one::CHEMBL455681

SMILES: Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1

InChI Key: InChIKey=GHDVYRGWQMIMIH-UHFFFAOYSA-N

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50246331   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM50246331 (2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...) Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246331 (2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...) Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246331 (2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...) Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay				Bioorg Med Chem Lett 21: 5378-83 (2011) Article DOI: 10.1016/j.bmcl.2011.07.006 BindingDB Entry DOI: 10.7270/Q2VX0GXK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50246331 (2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...) Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50246331 (2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...) Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells				Bioorg Med Chem Lett 18: 6041-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.034 BindingDB Entry DOI: 10.7270/Q2QJ7H5R
					More data for this Ligand-Target Pair